(2S)-4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-methoxy-10-methyl-2,3-dihydrofuro[3,2-b]acridin-5-one
PubChem CID: 162892188
Connections displayed (default: 10).
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| Topological Polar Surface Area | 99.5 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 597.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-methoxy-10-methyl-2,3-dihydrofuro[3,2-b]acridin-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C20H21NO6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QHLDPWBFSQRVLN-LBPRGKRZSA-N |
| Fcsp3 | 0.35 |
| Logs | -3.601 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.854 |
| Compound Name | (2S)-4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-methoxy-10-methyl-2,3-dihydrofuro[3,2-b]acridin-5-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 371.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 371.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 371.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.895415503703704 |
| Inchi | InChI=1S/C20H21NO6/c1-20(2,25)12-8-10-17(24)13-15(19(26-4)18(10)27-12)21(3)14-9(16(13)23)6-5-7-11(14)22/h5-7,12,22,24-25H,8H2,1-4H3/t12-/m0/s1 |
| Smiles | CC(C)([C@@H]1CC2=C(C3=C(C(=C2O1)OC)N(C4=C(C3=O)C=CC=C4O)C)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clematis Flammula (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gentiana Lactea (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hortia Arborea (Plant) Rel Props:Source_db:cmaup_ingredients